4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide

C21H25F2N3O3 — CID 170510675

IUPAC4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)C1CCC(Nc2ccnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C21H25F2N3O3/c1-28-19-11-29-10-18(19)26-21(27)12-2-4-14(5-3-12)25-17-6-7-24-20-15(17)8-13(22)9-16(20)23/h6-9,12,14,18-19H,2-5,10-11H2,1H3,(H,24,25)(H,26,27)/t12?,14?,18-,19-/m0/s1
InChIKeyXBQKFSKFPGIPHI-HLPDDHPGSA-N
MW405.45 g/mol
LogP3.01
Rot. Bonds5

About 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide

4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide (PubChem CID 170510675) has the molecular formula C21H25F2N3O3 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide
PubChem CID170510675
Molecular FormulaC21H25F2N3O3
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Name4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)C1CCC(Nc2ccnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C21H25F2N3O3/c1-28-19-11-29-10-18(19)26-21(27)12-2-4-14(5-3-12)25-17-6-7-24-20-15(17)8-13(22)9-16(20)23/h6-9,12,14,18-19H,2-5,10-11H2,1H3,(H,24,25)(H,26,27)/t12?,14?,18-,19-/m0/s1
InChIKeyXBQKFSKFPGIPHI-HLPDDHPGSA-N
XLogP3.01
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
CID 133260517
6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
CID 133494527
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 99712353
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
N-[(3S,4R)-4-methoxyoxolan-3-yl]isoquinolin-1-amine
CID 134707695
1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156608000
5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
CID 122564714
3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
CID 91661517
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
N-[(3S,3aR,6S,6aR)-3-[[4-(3-fluorophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 11913349
3-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-fluorobenzamide
CID 10050692

Frequently Asked Questions

What is the IUPAC name of 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide (CID 170510675) is 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide is CO[C@H]1COC[C@@H]1NC(=O)C1CCC(Nc2ccnc3c(F)cc(F)cc23)CC1.
What is the InChIKey of 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is XBQKFSKFPGIPHI-HLPDDHPGSA-N. The full InChI is InChI=1S/C21H25F2N3O3/c1-28-19-11-29-10-18(19)26-21(27)12-2-4-14(5-3-12)25-17-6-7-24-20-15(17)8-13(22)9-16(20)23/h6-9,12,14,18-19H,2-5,10-11H2,1H3,(H,24,25)(H,26,27)/t12?,14?,18-,19-/m0/s1.
What are the key properties of 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide?
4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 170510675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).